5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide

C12H11ClN2O4S — CID 34186723

IUPAC5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)o2)cc1S(N)(=O)=O
InChIInChI=1S/C12H11ClN2O4S/c1-7-2-3-8(6-10(7)20(14,17)18)15-12(16)9-4-5-11(13)19-9/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKTYQNGMNAYIKQR-UHFFFAOYSA-N
MW314.75 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide

5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide (PubChem CID 34186723) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
PubChem CID34186723
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Name5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)o2)cc1S(N)(=O)=O
InChIInChI=1S/C12H11ClN2O4S/c1-7-2-3-8(6-10(7)20(14,17)18)15-12(16)9-4-5-11(13)19-9/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKTYQNGMNAYIKQR-UHFFFAOYSA-N
XLogP2.14
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
5-chloro-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60727989
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789454
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
methyl 3-[(5-chlorofuran-2-carbonyl)amino]benzoate
CID 34059859
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-benzofuran-2-carboxamide
CID 78866131

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide (CID 34186723) is 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Cl)o2)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide?
The InChIKey is KTYQNGMNAYIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c1-7-2-3-8(6-10(7)20(14,17)18)15-12(16)9-4-5-11(13)19-9/h2-6H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide?
5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide has a molecular weight of 314.75 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methyl-3-sulfamoylphenyl)furan-2-carboxamide is sourced from PubChem (CID 34186723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).